UCSF

ZINC04970465

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 20 Yes

Other Names:

MFCD07425118

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.06 6.41 -12.71 1 4 0 59 290.388 3
Hi High (pH 8-9.5) 3.06 6.5 -47.25 0 4 -1 61 289.38 3
Lo Low (pH 4.5-6) 3.06 6.75 -32.84 2 4 1 60 291.396 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )